Chem
J-GLOBAL ID:200907018175321531   Nikkaji number:J2.289.227D

4-[4-[3-(Nonafluorovaleryloxy)propoxy]benzoyloxy]biphenyl-4′-carboxylic acid (S)-1-methylheptyl ester

4-[4-[3-(ノナフルオロバレリルオキシ)プロポキシ]ベンゾイルオキシ]ビフェニル-4′-カルボン酸(S)-1-メチルヘプチル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C36H35F9O7
Molecular formula furigana: C36-H35-F9-O7
Molecular weight: 750.655
InChI: InChI=1S/C36H35F9O7/c1-3-4-5-6-8-23(2)51-30(46)26-11-9-24(10-12-26)25-13-19-29(20-14-25)52-31(47)27-15-17-28(18-16-27)49-21-7-22-50-32(48)33(37,38)34(39,40)35(41,42)36(43,44)45/h9-20,23H,3-8,21-22H2,1-2H3/t23-/m0/s1
InChI key: CSEZYDQKSLRGTL-QHCPKHFHSA-N
SMILES: CCCCCC[C@H](C)OC(=O)c1ccc(cc1)c1ccc(OC(=O)c2ccc(OCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1
Systematic name  (3):
  • 4-[4-[3-(ノナフルオロバレリルオキシ)プロポキシ]ベンゾイルオキシ]ビフェニル-4′-カルボン酸(S)-1-メチルヘプチル
  • (2S)-オクタン-2-イル 4'-(4-{3-[(2,2,3,3,4,4,5,5,5-ノナフルオロペンタノイル)オキシ]プロポキシ}ベンゾイルオキシ)-[1,1'-ビフェニル]-4-カルボキシラート
  • (2S)-octan-2-yl 4'-(4-{3-[(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)oxy]propoxy}benzoyloxy)-[1,1'-biphenyl]-4-carboxylate
Other name (1):
  • 4-[4-[3-(Nonafluorovaleryloxy)propoxy]benzoyloxy]biphenyl-4′-carboxylic acid (S)-1-methylheptyl ester
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